Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9314563665-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-9722614177-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9314563665-0.sdf |
| SMILES | MCULE-9314563665-0.smiles |
| Standard InChI | MCULE-9314563665-0.inchi |
| InChIKey | MCULE-9314563665-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-864171651 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-868591789 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-608495954 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-524441868 | Key Organics | Biochemicals | 97 | As is | 400 mg |
| P-579625846 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-854712534 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-896628831 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-474022498 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-500373285 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885539648 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579711644 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-525181908 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892297274 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888657570 | TargetMol | Screening Compounds - stock amount | 95 | As is | 99 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 685.051 |
| logP | 7.63558 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 75.95 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 135.2177 |
| Atoms | 44 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 13 |
| Heteroatoms | 9 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| Halogen atoms | 4 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
